3,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzenesulfonamide

C17H16N2O4S — CID 110732709

IUPAC3,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1C
InChIInChI=1S/C17H16N2O4S/c1-10-4-6-13(8-11(10)2)24(22,23)18-12-5-7-14-15(9-12)17(21)19(3)16(14)20/h4-9,18H,1-3H3
InChIKeyLTAPQQLOBSPOFK-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.33
Rot. Bonds3

About 3,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzenesulfonamide

3,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzenesulfonamide (PubChem CID 110732709) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzenesulfonamide
PubChem CID110732709
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name3,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1C
InChIInChI=1S/C17H16N2O4S/c1-10-4-6-13(8-11(10)2)24(22,23)18-12-5-7-14-15(9-12)17(21)19(3)16(14)20/h4-9,18H,1-3H3
InChIKeyLTAPQQLOBSPOFK-UHFFFAOYSA-N
XLogP2.33
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 4783634
N-[2-(2,6-dioxocyclooctyl)-1,3-dioxoisoindol-5-yl]-3,4-dimethylbenzenesulfonamide
CID 166985434
3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570723
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
N-(2-methyl-1,3-dioxoisoindol-5-yl)ethanesulfonamide
CID 60656195
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
N-[4-(azepan-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 112985765
N-(3,4-dimethylphenyl)-5-methyl-6-oxopyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
CID 53173570
3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide
CID 22775051
4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide
CID 46555814
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-4-methylbenzenesulfonamide
CID 16809487

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzenesulfonamide (CID 110732709) is 3,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzenesulfonamide?
The InChIKey is LTAPQQLOBSPOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-10-4-6-13(8-11(10)2)24(22,23)18-12-5-7-14-15(9-12)17(21)19(3)16(14)20/h4-9,18H,1-3H3.
What are the key properties of 3,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzenesulfonamide?
3,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzenesulfonamide has a molecular weight of 344.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzenesulfonamide is sourced from PubChem (CID 110732709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).